Infrared and Electronic Spectroscopy of [C6H6(NH3)n]+ :

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Infrared and Electronic Spectroscopy of [C6H6(NH3)n]+ : 61st OHIO STATE UNIVERSITY INTERNATIONAL SYMPOSIUM ON MOLECULAR SPECTROSCOPY Infrared and Electronic Spectroscopy of [C6H6(NH3)n]+ : Identification of the Nucleophilic Substitution Intermediate Having a Newly Formed C-N Valence Bond Kenta Mizuse, Asuka Fujii, and Naohiko Mikami

Background

Background

This study The experimental determination of the structure of [C6H6(NH3)n]+ (n=1-5) , especially of the n=1 cluster “cyclohexadienyl” or not ? Method Infrared and electronic photodissociation spectroscopy of [C6H6(NH3)n]+ (n=1-5) Infrared; C-H and N-H stretch region 2800-3400cm-1 Electronic; visible region 16000-24000cm-1

Experiments ~Photodissociation Spectroscopy~

Mass spectrum of the cluster ion source

IR and Electronic Spectra of [C6H6(NH3)n]+ (n=1-5)

Spectra of [C6H6(NH3)1]+

Structure of [C6H6(NH3)1]+

[C6H6(NH3)2]+

[C6H6(NH3)n]+ (n=3-5)

･Infrared and Electronic photodissociation spectroscopy Summary ･Infrared and Electronic photodissociation spectroscopy was applied to [C6H6(NH3)n]+ (n=1-5) . ･For the n=1 cluster, both the observed spectra indicated that a new C-N valence bond is formed resulting in the cyclohexadienyl type structure. ･The cyclohexadienyl type cluster can be regarded as the prototype of intermediate in the nucleophilic substitution reactions. +